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Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ETHYLISOCHROMENO[3,4-C]PYRAZOL-5(2H)-one) compound

Analyse Crystal structure of the fifth bromodomain of human PB1 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5HRV
Type: protein
Length: 115 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein polybromo-1
UniProt: Q86U86
Ligands: 64C
Pockets: 1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein polybromo-1	protein	115	61% helix, 2% strand	Q86U86

Ligands and binding sites

64C · 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one · ligand · chains A
EDO · 1,2-ethanediol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	88	0.57	0.86	15	64C

Compared structures

5HRV · Crystal structure of the fifth bromodomain of human PB1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
Q86U86 · AlphaFold monomer V2.0 prediction for protein polybromo-1 (Q86U86) · a predicted model of the same protein · chain A against A, TM-score 0.96

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q86U86
Elsewhere: RCSB PDB 5HRV · PDBe 5HRV · UniProt Q86U86

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